4-methylbenzenesulfonate; (phenylmethyl) 3-azanylpropanoate

Systemtic Name: 4-methylbenzenesulfonate; (phenylmethyl) 3-azanylpropanoate Openeye Name: benzyl 3-aminopropanoate; 4-methylbenzenesulfonate CAS Name: 3-aminopropanoic acid (phenylmethyl) ester; 4-methylbenzenesulfonate IUPAC Name: benzyl 3-aminopropanoate; 4-methylbenzenesulfonate Traditional Name: 3-aminopropionic acid benzyl ester tosylate Formula: C17H20NO5S- MolecularWeight: 350.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)COC(=O)CCN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)COC(=O)CCN

InChI

InChI=1S/C10H13NO2.C7H8O3S/c11-7-6-10(12)13-8-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-8,11H2;2-5H,1H3,(H,8,9,10)/p-1